Information card for entry 7031572

Structure parameters

• Formula: C58 H22 Cl5 F40 O3 P4 Ru2
• Calculated formula: C52 H8 Cl5 F40 P4 Ru2
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)[P]1(c2c(c(c(c(c2F)F)F)F)F)CC[P](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)[Ru]231(Cl)[Cl][Ru]1([Cl]2)([Cl]3)(Cl)[P](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)CC[P]1(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Synthesis, characterization and reactivity studies of electrophilic ruthenium(ii) complexes: a study of H2 activation and labilization.
• Authors of publication: Naidu, K. S.; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13410 - 13423
• a: 13.3638 ± 0.001 Å
• b: 15.3727 ± 0.0012 Å
• c: 18.2384 ± 0.0013 Å
• α: 93.202 ± 0.004°
• β: 110.568 ± 0.004°
• γ: 107.691 ± 0.004°
• Cell volume: 3286.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No